A DFT Study on Fe(I)/Fe(II)/Fe(III) Mechanism of the Cross-Coupling between Haloalkane and Aryl Grignard Reagent Catalyzed by Iron-SciOPP Complexes

To explore plausible reaction pathways of the cross-coupling reaction between a haloalkane and an aryl metal reagent catalyzed by an iron–phosphine complex, we examine the reaction of FeBrPh(SciOPP) 1 and bromocycloheptane employing density functional theory (DFT) calculations. Besides the cross-cou...

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Detalles Bibliográficos
Autores principales: Sharma, Akhilesh K., Nakamura, Masaharu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7465158/
https://www.ncbi.nlm.nih.gov/pubmed/32784472
http://dx.doi.org/10.3390/molecules25163612

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7465158/
https://www.ncbi.nlm.nih.gov/pubmed/32784472
http://dx.doi.org/10.3390/molecules25163612

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